methyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1H-imidazole-5-carboxylate dihydrochloride

Systemtic Name: methyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1H-imidazole-5-carboxylate dihydrochloride Openeye Name: methyl 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-1H-imidazole-5-carboxylate dihydrochloride CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-1H-imidazole-5-carboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1H-imidazole-5-carboxylate dihydrochloride Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-1H-imidazole-5-carboxylic acid methyl ester dihydrochloride Formula: C25H28Cl2N4O3 MolecularWeight: 503.42082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC=C(N3)C(=O)OC)C4=CC=CC=C4)CN.Cl.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC=C(N3)C(=O)OC)C4=CC=CC=C4)CN.Cl.Cl

InChI

InChI=1S/C25H26N4O3.2ClH/c1-15(2)14-29-21(12-26)22(16-7-5-4-6-8-16)19-11-17(9-10-18(19)24(29)30)23-27-13-20(28-23)25(31)32-3;;/h4-11,13,15H,12,14,26H2,1-3H3,(H,27,28);2*1H